5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide

C16H19BrN2OS — CID 79959540

IUPAC5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)sc1Br
InChIInChI=1S/C16H19BrN2OS/c1-11-9-14(21-15(11)17)16(20)19(4)10-12-5-7-13(8-6-12)18(2)3/h5-9H,10H2,1-4H3
InChIKeyBJFHLMHMXLERGP-UHFFFAOYSA-N
MW367.31 g/mol
LogP4.16
Rot. Bonds4

About 5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide

5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide (PubChem CID 79959540) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide
PubChem CID79959540
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)sc1Br
InChIInChI=1S/C16H19BrN2OS/c1-11-9-14(21-15(11)17)16(20)19(4)10-12-5-7-13(8-6-12)18(2)3/h5-9H,10H2,1-4H3
InChIKeyBJFHLMHMXLERGP-UHFFFAOYSA-N
XLogP4.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79930066
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 78800736
5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 79954703
4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-4-carboxamide
CID 103752068
N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27861266
2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
CID 113237231
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 34730083
5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79986290
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide
CID 39952387

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide (CID 79959540) is 5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)sc1Br.
What is the InChIKey of 5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is BJFHLMHMXLERGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-11-9-14(21-15(11)17)16(20)19(4)10-12-5-7-13(8-6-12)18(2)3/h5-9H,10H2,1-4H3.
What are the key properties of 5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide?
5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 367.31 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 79959540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).